SCHEMBL21711099

SCHEMBL21711099

Sc1nccc(N2CCOCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.50
PIK3CD O00329 3/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
OGA O60502 1/20 0.49
ATR Q13535 1/20 0.45
ATRIP Q8WXE1 1/20 0.45
SMPD3 Q9NY59 2/20 0.44
GAA P10253 1/20 0.43
HTT P42858 2/20 0.42
SORD Q00796 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5457199 0.80 PIK3CA (0.55) PIK3CAPIK3CDMEN1USP2ALDH1A1
SCHEMBL244876 0.79 HRH3 (0.65) PIK3CAPIK3CDMEN1USP2ALDH1A1
SCHEMBL21914804 0.79 PIK3CA (0.50) PIK3CAPIK3CDMEN1USP2ALDH1A1
SCHEMBL1110658 0.79 PIK3CA (0.50) PIK3CAPIK3CDMEN1USP2ALDH1A1
SCHEMBL13033968 0.79 KMT2A (0.57) PIK3CAPIK3CDMEN1USP2ALDH1A1
SCHEMBL29790016 0.79 PIK3CA (0.50) PIK3CAPIK3CDMEN1USP2ALDH1A1
SCHEMBL28024738 0.76 HSD17B10 (0.51) PIK3CAPIK3CDMEN1USP2ALDH1A1
SCHEMBL20000530 0.76 PIK3CA (0.51) PIK3CAPIK3CDMEN1USP2ALDH1A1
SCHEMBL9678255 0.75 OGA (0.59) PIK3CAPIK3CDMEN1USP2ALDH1A1
SCHEMBL3811303 0.75 OGA (0.59) PIK3CAPIK3CDMEN1USP2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10806738-B2 Theramutein modulators HMI Medical Innovations, LLC (US) 2020-10-20 US disclosed
US-20200046718-A1 THERAMUTEIN MODULATORS HMI Medical Innovations, LLC 2020-02-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10806738-B2 Theramutein modulators TSG101, SERPINE1, PLAUR PIK3CA 2425/4885PIK3CD 3894/4885MEN1 552/4885
US-20200046718-A1 THERAMUTEIN MODULATORS TSG101, SERPINE1, PLAUR PIK3CA 2425/4885PIK3CD 3894/4885MEN1 552/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.